SCHEMBL7835917

SCHEMBL7835917

CNC(=O)Cc1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.37
AKR1B1 P15121 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
JAK1 P23458 1/20 0.34
METAP1 P53582 1/20 0.34
MET P08581 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
CYP19A1 P11511 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7844888 0.87 JAK1 (0.36) AKR1B1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL27394239 0.82 CA2 (0.39) AKR1B1ALDH1A1METAP1CYP19A1CA2
SCHEMBL7845284 0.81 PARP1 (0.40) LDHAAKR1B1JAK1METAP1
SCHEMBL7845195 0.79 MAPT (0.44) LDHAALDH1A1HPGDLMNAMAPT
SCHEMBL7845549 0.75 FFAR1 (0.40) AKR1B1KEAP1CA1CA2
SCHEMBL7835705 0.74 AKR1B1 (0.47) AKR1B1ALDH1A1LMNA
SCHEMBL8091023 0.72 CYP4F2 (0.48) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL2010435 0.71 HTR2A (0.42)
SCHEMBL10908381 0.70 ALDH1A1 (0.45) ALDH1A1HPGDMAPTSMN1; SMN2GAA
SCHEMBL10908115 0.70 BAZ2B (0.54) ALDH1A1CYP1A2HPGDCYP2C19MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed